SCHEMBL4547032

SCHEMBL4547032

O=C(O)C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
OGT O15294 4/20 0.57
POLB P06746 4/20 0.54
MAPT P10636 4/20 0.53
THRB P10828 2/20 0.53
ADAMTS4 O75173 1/20 0.48
IDO1 P14902 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23815544 0.88 OGT (0.52) PKMOGTPOLBMAPTTHRB
SCHEMBL17405139 0.87 OGT (0.53) PKMOGTPOLBMAPTTHRB
SCHEMBL13602282 0.86 PKM (0.63) PKMOGTPOLBMAPTTHRB
SCHEMBL4544679 0.86 OGT (0.63) PKMOGTPOLBMAPTTHRB
SCHEMBL17406934 0.85 ALDH1A1 (0.58) PKMOGTPOLBMAPTTHRB
SCHEMBL4547119 0.84 OGT (0.61) PKMOGTPOLBMAPTTHRB
SCHEMBL2633965 0.84 OGT (0.51) PKMOGTPOLBMAPTTHRB
SCHEMBL17406948 0.84 OGT (0.51) PKMOGTPOLBMAPTTHRB
SCHEMBL17406949 0.84 ALDH1A1 (0.62) PKMOGTPOLBMAPTTHRB
SCHEMBL4547381 0.84 OGT (0.61) PKMOGTPOLBMAPTTHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
WO-2010141074-A2 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 PKM 4502/4885OGT 2/4885POLB 3030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.